PDB entry 1al6



Warnings!

Structure
SpacegroupC 1 2 1
Cell dimensionsa: 104.430 Åb: 78.480 Åc: 58.450 Å
α: 90.00°β: 78.89°γ: 90.00°
Resolution1.85 Å

Experimental data
ReflectionsAll: 40735Test set: 0 (0.0%)
Resolution range23.15 Å1.72 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.15700.15060.15060.1698
R-freeNA0.15370.15370.1980
σR-free 0.0024NA0.0031
R-free Z-score 10.96NA1.61

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.712-1.316-0.606
2nd generation packing quality1-0.908-1.222-0.380
Ramachandran plot appearance1-0.182-0.1850.374
Chi-1/Chi-2 rotamer normality1-3.562-3.182-1.668
Backbone conformation10.0350.0620.241
Bond length RMS Z-score20.8070.8070.596
Bond angle RMS Z-score21.0761.0760.776
Total number of bumps3625113
Unsatisfied H-bond donors/acceptors3252427
Full WHAT_CHECK reportsLink LinkLink

1 Higher is better
2 Should be lower than 1.000
3 Fewer is better

Electron density map validation
Real-space correlation coefficientReal-space R-factor
Significantly improved residues625
Significantly deteriorated residues4642
Changes of all residuesPlot Plot

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